| SpectraBase Compound ID | HgtjLl6KGSG |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-4-18-14(16)6-5-7-15(17)19-13-9-11(2)8-12(3)10-13/h8-10H,4-7H2,1-3H3 |
| InChIKey | FPOUGJRHQLASBT-UHFFFAOYSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C15H20O4 |
| Exact Mass | 264.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3qoPOxXahYW |
|---|---|
| Name | Glutaric acid, 3,5-dimethylphenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.136159120 u |
| Formula | C15H20O4 |
| InChI | InChI=1S/C15H20O4/c1-4-18-14(16)6-5-7-15(17)19-13-9-11(2)8-12(3)10-13/h8-10H,4-7H2,1-3H3 |
| InChIKey | FPOUGJRHQLASBT-UHFFFAOYSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | CC1=CC(C)=CC(OC(=O)CCCC(OCC)=O)=C1 |